AG003DW4

851202-94-3 | 1-Acetyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile

AG003DW4

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CAS Number	851202-94-3
Catalog Number	AG003DW4(AGN-PC-01XGAL)
Chemical Name	1-Acetyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile
IUPAC Name	1-acetyl-3,4-dihydro-2H-quinoline-6-carbonitrile
InChI	InChI=1S/C12H12N2O/c1-9(15)14-6-2-3-11-7-10(8-13)4-5-12(11)14/h4-5,7H,2-3,6H2,1H3
InChI Key	OUSBYSBWTAUELS-UHFFFAOYSA-N
MDL Number	MFCD04035722
Molecular Formula	C12H12N2O
Molecular Weight	200.2365
SMILES	N#CC1=CC2=C(N(C(C)=O)CCC2)C=C1
Synonyms	1-acetyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile, 851202-94-3, 6-Quinolinecarbonitrile, 1-acetyl-1,2,3,4-tetrahydro-, 1-Acetyl-1,2,3,4-tetrahydro-6-quinolinecarbonitrile, SCHEMBL4299468, CTK7C8332, KS-00000EJL, ZINC2523130, 5035AJ, MFCD04035722, SBB092615, AKOS025243993, TRA0055045, AS-32652, SY029115, TL8005568, Z-3807, MFCD04035722 (95+%), 1-ACETYL-3,4-DIHYDRO-2H-QUINOLINE-6-CARBONITRILE, C12H12N2O, 1-acetyl-1,2,3,4-tetrahydro-quinoline-6-carbonitrile,

Complexity	304
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.095g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.241g/mol
Monoisotopic Mass	200.095g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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